3-benzamido-N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-benzamide

Systemtic Name: 3-benzamido-N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-benzamide Openeye Name: 3-benzamido-4-methyl-N-(5-sec-butylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-benzamido-N-[5-(butan-2-ylthio)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide IUPAC Name: 3-benzamido-N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide Traditional Name: 3-benzamido-4-methyl-N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C)SC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S2/c1-4-14(3)28-21-25-24-20(29-21)23-19(27)16-11-10-13(2)17(12-16)22-18(26)15-8-6-5-7-9-15/h5-12,14H,4H2,1-3H3,(H,22,26)(H,23,24,27)